CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.589906 13.983973 21.144146 90.000000 90.000000 73.630000                   
ATOM  -1: X=0.88310000 Y=0.51010000 Z=0.14130000
          MULT= 4          ISPLIT= 8
      -1: X=0.11690000 Y=0.48990000 Z=0.85870000
      -1: X=0.11690000 Y=0.98990000 Z=0.14130000
      -1: X=0.88310000 Y=0.01010000 Z=0.85870000
N          NPT=  781  R0=.000100000 RMT= 1.43        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.85900000 Y=0.33000000 Z=0.07150000
          MULT= 4          ISPLIT= 8
      -2: X=0.14100000 Y=0.67000000 Z=0.92850000
      -2: X=0.14100000 Y=0.17000000 Z=0.07150000
      -2: X=0.85900000 Y=0.83000000 Z=0.92850000
S          NPT=  781  R0=.000100000 RMT= 1.43        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.81790000 Y=0.16780000 Z=0.14860000
          MULT= 4          ISPLIT= 8
      -3: X=0.18210000 Y=0.83220000 Z=0.85140000
      -3: X=0.18210000 Y=0.33220000 Z=0.14860000
      -3: X=0.81790000 Y=0.66780000 Z=0.85140000
N          NPT=  781  R0=.000100000 RMT= 1.43        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.95500000 Y=0.00510000 Z=0.21490000
          MULT= 4          ISPLIT= 8
      -4: X=0.04500000 Y=0.99490000 Z=0.78510000
      -4: X=0.04500000 Y=0.49490000 Z=0.21490000
      -4: X=0.95500000 Y=0.50510000 Z=0.78510000
S          NPT=  781  R0=.000100000 RMT= 1.43        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.97810000 Y=0.07460000 Z=0.35750000
          MULT= 4          ISPLIT= 8
      -5: X=0.02190000 Y=0.92540000 Z=0.64250000
      -5: X=0.02190000 Y=0.42540000 Z=0.35750000
      -5: X=0.97810000 Y=0.57460000 Z=0.64250000
N          NPT=  781  R0=.000100000 RMT= 1.43        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.25000000 Z=0.41850000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.58150000
S          NPT=  781  R0=.000100000 RMT= 1.43        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000